N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide

C15H16N6O2 — CID 167882509

IUPACN,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(CCc2nc(-c3ccccc3)no2)nn1
InChIInChI=1S/C15H16N6O2/c1-20(2)15(22)12-10-21(19-17-12)9-8-13-16-14(18-23-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyKBKBHSLNBGMRSL-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.27
Rot. Bonds5

About N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide

N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide (PubChem CID 167882509) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
PubChem CID167882509
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(CCc2nc(-c3ccccc3)no2)nn1
InChIInChI=1S/C15H16N6O2/c1-20(2)15(22)12-10-21(19-17-12)9-8-13-16-14(18-23-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyKBKBHSLNBGMRSL-UHFFFAOYSA-N
XLogP1.27
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,1-dimethyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 110293678
N,N,4-trimethyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 155918840
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric acid
CID 6431771
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46546217
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide (CID 167882509) is N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide is CN(C)C(=O)c1cn(CCc2nc(-c3ccccc3)no2)nn1.
What is the InChIKey of N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?
The InChIKey is KBKBHSLNBGMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20(2)15(22)12-10-21(19-17-12)9-8-13-16-14(18-23-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide?
N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 167882509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).